C1CN(CC=C1C(=O)O)C2=C(C=CC=N2)C(F)(F)F
CAS: 850040-11-8
이름: 1-[3-(trifluoromethyl)-2-pyridinyl]-3,6-dihydro-2H-pyridine-4-carboxylic acid
SMILES: C1CN(CC=C1C(=O)O)C2=C(C=CC=N2)C(F)(F)F

Molecular Processing

Molecular formula
C12H11F3N2O2
Molecular weight
272.23
Exact mass
272.0773
XLogP
2.32
TPSA
53.43
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
61.79

Supplementary Information

InChIKey: PNLVRGHAYJWVKF-UHFFFAOYSA-N
동의어
3'-(trifluoromethyl)-3,6-dihydro-2H-[1,2'-bipyridine]-4-carboxylic acid850040-11-8SCHEMBL12508893'-(trifluoromethyl)-3,6-dihydro-2H-[1,2'-bipyridine]-4-carboxylicacid3'-(trifluoromethyl)-3,6-dihydro-2H-1,2'-bipyridine-4-carboxylic acid3'-trifluoromethyl-3,6-dihydro-2H-[1,2']bipyridinyl-4-carboxylic acid
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